prelims, contents pages

10
Contents Somnath Choubey, Subhasis Roy, Kishalay Bhar, Rajarshi Ghosh, Partha Mitra, Chia-Her Lin, Joan Ribas and Barindra Kumar Ghosh Polyhedron 55 (2013) 1 Syntheses, structures, and magnetic properties of terephthalato bridged dinuclear copper(II) and manganese(II) complexes with a tetradentate N-donor Schiff base Syntheses, crystal structures and magnetic behaviours of two dinuclear copper(II) and one dinuclear manganese(II) terephthalate complexes with a tetradentate N-donor Schiff base (L) described. Interesting varia- tion of bridging motifs of tp from bis(mono- dentate) to bis(bidentate) is revealed through change of the metal ions from copper(II) to manganese(II) observed. Vari- able-temperature magnetic susceptibility measurements show weak antiferromag- netic coupling between the metal centers mediated through long tp bridging. Fulya Çetinkaya, Günes ¸ Süheyla Kürkçüog ˘lu, Okan Zafer Yes ¸ilel and Orhan Büyükgüngör Polyhedron 55 (2013) 10 Two dimensional heteropolynuclear Zn(II) and Cd(II)-tetracyanopalladate(II) complexes with the 1-ethylimidazole ligand exhibiting C–H Pd interactions The cyano-bridged heteronuclear complexes, [M(etim) 2 Pd(l-CN) 4 ] n (where, M = Zn II (1) or Cd II (2); etim = 1-ethylimidazole), have been synthesized and characterized by FT-IR, Raman spectroscopy, thermal and elemental analyses. The most striking feature of the complexes is the presence of C–HM hydrogen-bonding interactions between the Pd(II) ion and hydro- gen atoms of the etim ligands. These weak hydrogen bonds play an important role in the construction of the supramolecular structure. Adjacent 2D layers are further extended into a three-dimensional supramolecular framework by weak C–HPd hydrogen bonding interac- tions. Jan Grzegorz Małecki and Anna Maron ´ Polyhedron 55 (2013) 18 Synthesis and spectroscopic characterization of a hydride carbonyl ruthenium(II) complex with 2-methyl-4(5)nitroimidazole as a co-ligand The reaction between [RuHCl(CO)(PPh 3 ) 3 ] and 2-methyl-4(5)-nitroimidazole (L) has been performed and the hydride carbonyl ruthe- nium(II) complex [RuH(CO)(PPh 3 ) 2 (L)] has been obtained by this reaction, running with deprotonation of the ligand. The molecular structure of the complex has been determined by X-ray crystallography and its spectroscopic characterization has been carried out by IR, 1 H, 31 P and 13 C NMR, UV–Vis spectroscopy. Supported by the DFT computational method, the electronic structure is described in order to explain the absorption and emission spec- tra obtained experimentally. The lumines- cence property of the complex has been examined and the quantum yield of the fluorescence has been obtained by a com- parative method. The observable fluorescence is related to MLLCT excited states. The imidazole derivative ligand plays a role in the creation of the excited states. Elsevier Ltd. Polyhedron 55, 17 May 2013 Contents lists available at SciVerse ScienceDirect Polyhedron journal homepage: www.elsevier.com/locate/poly

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Page 1: prelims, contents pages

Contents

Somnath Choube y, Subhasis Roy,Kishalay Bhar, Rajarshi Ghosh,Partha Mitra, Chia-Her Lin, Joan Ribas and Barindra Kumar Ghosh

Polyhedron 55 (2013) 1

Syntheses, structures, and magnetic properties ofterephthalato bridge d dinuclear copper(II) and manganese(II) complexes with a tetradentate N-donor Schiff base

Syntheses, crystal structure s and magnetic behaviou rs of two dinuclea r copper(II) and one dinuclear manganese (II) terephthal ate complexes with a tetradent ate N-donor Schiff base (L) described . Interesti ng varia- tion of bridging motifs of tp from bis(mono-dentate) to bis(bidentate) is revealed through change of the metal ions from copper(II) to manganese(II) observed. Vari- able-tempe rature magnetic susceptibilit ymeasure ments show weak antiferrom ag- netic coupling between the metal centers mediated through long tp bridging.

Fulya Çetinkaya, GünesSüheyla Kürkçüoglu, Okan Zafer Yes ¸ileland Orhan Büyükgüngör

Polyhedron 55 (2013) 10

Two dimensional heteropolynuclear Zn(II) and Cd(II)-tetracyanopalladate(II) complexes with the 1-ethylimidazole ligand exhibiting C–H� � �Pd interac tions

The cyano-bridged heteronuclear complexes,[M(etim)2Pd(l-CN)4]n (where, M = ZnII (1) orCdII (2); etim = 1-ethylimidazole), have been synthesized and characterized by FT-IR, Raman spectroscopy, thermal and elemental analyses.The most striking feature of the complexes isthe presence of C–H� � �M hydrogen-bond ing interactions between the Pd(II) ion and hydro- gen atoms of the etim lig ands. These weak hydrogen bonds play an important role in the construction of the supramolec ular stru cture.Adjacent 2D layers are further extended into athree-dimension al supram olecular framewo rkby weak C–H� � �Pd hydrogen bonding interac- tions.

Jan Grzegor z Małecki and Anna Maron ´

Polyhedron 55 (2013) 18

Synthesis and spectrosco pic characterization ofa hydride carbonyl ruthenium(II) complex with 2-methyl-4(5)nitroimidazole as a co-ligand

The reaction bet ween [RuHCl(CO)(PPh3)3] and 2-methyl-4(5)-nitroimidazole (L) has been performed and the hydride carbonyl ruthe- nium(II) complex [RuH(CO)(PPh3)2(L)] has been obtained by this reac tion, running with deprotonati on of the ligand. The molecular structure of the complex has been determine d

by X-ray crystallogra phy and its spe ctroscopic characterizati on has been carried out by IR,1H, 31P and 13C NMR, UV–Vis spectroscopy.Supported by the DFT comput ational method,the electronic structure is described in ord erto explain the absorption and emission spec- tra obtained experimental ly. The lumines- cence property of the complex has been examined and the quantum yield of the fluorescence has been obtai ned by a com- parative method. The observ able fluorescenceis related to MLLCT excited states. The imidazole derivativ e ligand plays a role inthe creation of the excited states.

Elsevier Ltd.

Polyhedron 55, 17 May 2013

Contents lists available at SciVerse ScienceDi rect

Polyhedron

journal homepage: www.elsevier .com/locate /poly

Page 2: prelims, contents pages

Rajendar Nasani, Manide epa Saha,Shaikh M. Mobin and Suman Mukho padhyay

Polyhedron 55 (2013) 24

Microwave synthesis of mono- and bis-tetra- zolato complexes via 1,3-dipol ar cycloaddi tion of organonitriles with nickel(II)-bound azides:Isolation of 5-substituted tetrazoles from parent complex

1,3-Dipola r cycloadd ition reaction of cis-[Ni(N3)2(phen)2] with organonit riles NCR under microwave irradiati on give the bis (tetrazolato) complexes cis-[Ni(N4CR)2.Treatment of the tetrazola to complexes with excess of NaN 3 liberates the tetrazole from the metal complex.

Ross J. David son, Eric W. Ainscough ,Andrew M. Brodie, Geoffrey B. Jameson,Mark R. Waterlan d,Boujemaa Moubaraki, Keith S. Murray,Keith C. Gordon, Rapha el Horva th and Guy N.L. Jameson

Polyhedron 55 (2013) 37

An iron(II) spin crossover grafted cyclotripho- sphazene

A new cyclotriphosp hazene ligand substi- tuted with a pendant 2,6-bis(benzimid- azole-2-y l)pyridine (bbp) moiety has been used to synthesize iron(II) compou nds with an �N� iron(II)-bis-bbp core. Spectr oscopic,magnetic and computa tional studies of the complexes have been conduc ted to deter- mine the spin crossover behavior of the complexes. The complexes are low spin below 300 K but display spin crossover above this temper ature.

Aleksandra Wis ´niewska ,Agnieszka Łapczuk-Krygier,Katarzyn a Baranow ska,Jarosław Chojnac ki, Eberhard Matern,Jerzy Pikies and Rafał Grubba

Polyhedron 55 (2013) 45

Formation of polyphosphorus ligands mediated by zirconium and hafnium complexes

The reactions of R2P–P(SiMe3)Li (R = tBu, iPr,iPr2N) with [Cp 2MCl2] (M = Zr, Hf),[Cp *CpZrCl2] and [CpZrCl 3] yielded polypho- sphorus (mainly hexaphosphorus) compounds which can be viewed as intermediates be- tween R2P–P(SiMe3)Li and derivatives of1,2,3,4-tetraphosphabicyclo[1.1.0] butane and subsequent degradation products. Thus R2P–P(SiMe3)Li can act as a building block for the formation of the P2 ligand and the R2P–P(P2)and R2P–P(P2)P–PR2 moieties. Solid state structures of zirconium(IV) and hafnium(IV)complexes with R2P–P(P2) and R2P–P(P2)P–PR2

ligands were established by X-ray studies.

J.G. Małecki and J. Nycz

Polyhedron 55 (2013) 49

Ruthenium(II) hydridecarbonyl complex with N,N¢-bis(2-pyridyl)thiourea as co-ligand

The reacti on of [RuHCl(CO)(PPh3)3] with N,N¢-bis(2-pyridyl)thiourea gave a new ruthen ium(II) complex, name ly [RuHCl (CO)(PPh3)2(BPT)]Cl. The complex has been studied by IR, NMR and UV–Vis spectro- scopy and by X-ray crystallograp hy. Themole cular orbitals of the complex have been calcu lated by dens ity functio nal theory. Thespin-all owed sing let-singlet electronic tran- sitions of the complex have been calcu lated by time-depend ent DFT, and the UV–Vis spectr um of the compoun d is been dis- cussed on this basis. The emi ssion proper- ties of the compoun d were also studied.

vContents

Page 3: prelims, contents pages

Gábor Besenyei, István Bitter,László Párkányi, Gábor Szalontai,Péter Baranya i, Éva Kunsági-Máté,Ferenc Faigl, Alajos Grün and Miklós Kubinyi

Polyhedron 55 (2013) 57

A new xantphos-type ligand and its gold(I)complexes: Synthesis, structure, luminescenc e

Two- and three-coord inate gold(I) com- plexes with a novel xantphos- analog li- gand, with methylene bridges inserted between the xanthene backbone and the diphenylp hosphino groups, show marked differences in their structural and photo- physical properties.

Nicholas A. Barnes, Stephen M. Godfrey,Nicholas Ho, Charles A. McAuliffe and Robin G. Pritchard

Polyhedron 55 (2013) 67

Facile synthesis of a rare example of an iron(III)iodide complex, [FeI 3(AsMe3)2], from the reac- tion of Me3AsI2 with unactivated iron powder

The reaction of Me3AsI2 with iron powder leads to the formation of the iron(III) arsine complex [FeI 3(AsMe3)2]. The complex is arare example of a neutral FeI 3 complex,inaccesib le via tradition al synthetic routes due to the low stabilit y of the parent halide. The complex is a rare example of a‘‘hard’’ iron(III) centre coordinat ing ‘‘soft’’tertiary arsine ligands.

Bi-Dong Wu, Yu-Lu Li, Fu-Gang Li, Zun- Ning Zhou, Li Yang, Jian-Guo Zhang and Tong-Lai Zhang

Polyhedron 55 (2013) 73

Preparation, crystal structures and thermal decomposition of three energetic manganese compounds and a salt based on imidazole and picrate

YIt proves that [Mn(H2O)6](PA)2 2H2O (1)was the compound not the salt. We got the structure s of Mn(IMI)2(H2O)4](PA)2 (2)and [Mn(IMI)6](PA)2 H2O (3). And com- pounds 2 and 3 were synthesiz ed bydifferent dropping ways. The energies ofcombustion of 2 and 3 are higher to those of RDX and HMX.

Chris C. Joubert, Lydia van As,Alexander Jakob, J. Matthäus Speck,Heinrich Lang and Jannie C. Swarts

Polyhedron 55 (2013) 80

Intramolecular electronic communicatio n inferrocene-based b-diket onato coppe r(II) com- plexes as observed by an electrochemical study

The electroch emistry and spectroelectr o-chemistr y of [Cu(FcCOCHCOR)2] complexes reveal substantial intramolecul ar commu- nication between ferrocenyl fragments.

R= CF, CH3, C6H5, Fc

SW

CV

Fc*

iaic

12

-1000 -500 0 500

E / mV vs. FcH/FcH+

R=CF3, CH3, Ph, Fc

R=CF3

-1000 -500 0 500E / mV vs. FcH/FcH+

Fc*

CV

vi Contents

Page 4: prelims, contents pages

Chunyang Jia, Jie Ding, Shi-Xia Liu,Gaël Labat, Antonia Neels,Andreas Hauser and Silvio Decurtin s

Polyhedron 55 (2013) 87

A Pt(II) complex with both a phenanthroline and a tetrathiafulvalen e-extended dithiolate ligand: Synthesis, crystal structure, electroche- mical and spectrosco pic properties

A new Pt(II) complex with both a phenan- throline and a tetrathiafulval ene-extended dithiolate ligand has been synthesiz ed.Systemat ic changes in the optical spectra upon oxidation allow precise tuning of the oxidation states of 1 and reversible control over its optical propert ies.

Albert Martínez-Torrents, Sandra Meca,Nils Baumann, Vicenç Martí,Javier Giménez, Joan de Pablo and Ignasi Casas

Polyhedron 55 (2013) 92

Uranium speciat ion studies at alkaline pH and in the presence of hydrogen peroxide using time-resolved laser-induced fluorescence spec- troscopy

Time-Resolved Laser-Induced Fluorescence Spectroscopy (TRLFS) was used to study the speciation of uranium (VI) at very alkaline pH(11–13), in absence of CO2, at room tempera-

ture and at 10 K. The lifetime of species UO2(OH)3

- , UO2(OH)42- and (UO2)3(OH)7

-

was obtained. From the experiments carried out in the presence of hydrogen peroxide, itwas observed that hydrogen peroxide pro- duces a quenching effect to the fluorescence ofthe uranium species. At pH 12 the quenching is static, which points to the formation of anon-fluorescent complex between U(VI) and hydrogen peroxide. Using the Stern-Volmer equation for static quenching the equilibrium formation constant of the first species UO2O2(OH)2

2-, was calculated to be: logK 0 =28.7 ± 0.4.

Paolo Farina, William Levason and Gillian Reid

Polyhedron 55 (2013) 102

Synthesis and structures of antimony(III) halide complexes with oxa-thia and oxa-selena crowns

The synthesis, spectrosco pic and structural characterisat ion of complexes of 15 and 18-memb ered ring oxa-thia and oxa-selena macrocycle s with SbX 3 are described.

Sima Heidari, Elham Safaei,Andrzej Wojtczak, Patricia Cotic ˇ and Anna Kozakiewic z

Polyhedron 55 (2013) 109

Iron(III) complexes of pyridine-based tetraden- tate aminophenol ligands as stru ctural model complexes for the catechol-bound intermedi ate of catechol dioxygena ses

Some new pyridine-ba sed tetradent ate aminopheno l ligands and their acetylace- tonato iron(III) complexes have been synthesiz ed and characteriz ed by spectro- scopic techniqu es, cyclic voltamm etry, sin- gle crystal X-ray diffraction and magnetic susceptib ility studies.

viiContents

Page 5: prelims, contents pages

Marina Yu. Stogniy, Maria V. Zakharova ,Igor B. Sivaev, Ivan A. Godov ikov,Alexander O. Chizov and Vladimir I. Bregadze

Polyhedron 55 (2013) 117

Synthesis of new carborane- based amino acids

A series of new boron-cont aining amino acids, 1-HOOCCH(NH2)-(CH2)nS-1,2-C2B10-H11 and [7-HOOCCH (NH2)(CH2)nS-7,8-C2-B9H11]) (n = 4–6), were prepared . The compoun ds synthesiz ed can be used inradionucl ide diagnostics and boron neu- tron capture therapy of cancer.

S(CH2)nCHCOOH

NH2

HS(CH2)nCHCOOH

NH2

-

n = 4-6

Nduduzo Malinga , Edith Antunes and Tebello Nyokong

Polyhedron 55 (2013) 121

Synthesis and physic ochemical behaviour ofaluminium bis and tris(diammine platinum)octacarboxyphthalocy anine

Hydroxy aluminium octacar boxy phthalo- cyanine was conjugated with a diammine platinum complex to give conjugate s con- taining two or three platinu m complexes .The conjuga tes are soluble in water atpH > 8.2, have two fluoresc ence lifetimes,and show an increase in both triplet and singlet oxygen quantum yields.

Ross McLellan, Kayleigh M. Kennedy,Maxime Denis, Ruaraidh D. McIntosh ,Euan K. Brechin and Scott J. Dalgar no

Polyhedron 55 (2013) 126

Cobalt(II) complexes of calix[6]arenes: Crystal- lographic studies into heteroatom bridge influ- ence over discrete versus polymeric structure formation

Methylene - and oxa-brid ged calix[6]are nes display markedly different conformatio nsin cobalt complexes. The former adopts a1,3-doubl e partial cone conformati on and through coordinatio n of Co(II) affords a 1-D coordinatio n polyme r. The latter adopts adouble cone conformati on and affords adiscrete Co(II) complex.

Zoran D. Matovic ´ , Marija S. Jeremic ´ ,Ratomir M. Jelic ´ , Matija Zlatar and Ivan Z. Jakovljevic ´

Polyhedron 55 (2013) 131

Configurational, LFDFT and NBO analys is ofchromium(III) complexes of edta-type ligands

A new chromiu m(III) complex, Na[Cr(l,3-pd3ap)]Æ3H2O, containi ng the 1,3-propane- diamine- N,N,N¢-triacetate -N¢-3-propiona teion has been prepared . The assignm ent was made on the basis of DFT, IR and UVanalysis. Spectral data and electron ic tran- sition assignmen t, DFT–NBO/Ligand Field- DFT and extensive strain analysis are discussed by comparison with the data ofother [Cr(edta-type)]) complexes.

viii Contents

Page 6: prelims, contents pages

Kadarka raisamy Mariapp an,Prem Nath Basa,Vinothini Balasubrama nian,Sarah Fuoss and Andrew G. Sykes

Polyhedron 55 (2013) 144

Synthesis, reactivity, catenation and X-ray crys- tallography of Ag+ and Cu+ complexes ofanthraquinone-based selenoethers: A lumines- cent chemodosimeter for Cu2+ and Fe3+

New organoselen oehters containing an- thraquinon e based open bipodant ligands and Ag(I), Cu(I) complexes have been synthesiz ed and characteriz ed. X-ray struc- tures of complexes shows that the intraan- nular carbonyl oxygen coordinat ed with Ag(I). One of the organosel enoether serves as chemodosim eter for Cu2+ and Fe3+.Electrochemi cal behaviors of new com- pounds versus Ag/AgCl are also discussed.

Vânia Denise Schwade, Lars Kirsten,Adelheid Hagenba ch, Ernesto Schulz Lang and Ulrich Abram

Polyhedron 55 (2013) 155

Indium(III), lead(II), gold(I) and copper(II) com- plexes with isophthaloylbis(thiourea) ligands

3,3,3¢,3¢-Tetraeth yl-1,1-isoph thaloyl- bis(thiourea), H2L1a, forms a structural manifold of metal complexes when it isreacted with InCl 3, Pb(acetate)2,[AuCl(PPh3)] or [CuCl(PPh3)].

Hamid Golchoub ian and Ehsan Rezaee

Polyhedron 55 (2013) 162

Synthesis, characterization and solvatochro- mism studi es of two new mixed-chelate cop- per(II) complexes containing b-ketoamine and diamine ligands

Two mixed-chel ated copper(II) complexes with diamine and b-ketoamine were prepared. The complexes are soluble inorganic solvents and present solvatochr o-mism. Their solvatochr omism was exam- ined using an MLR computa tional method.The solvatochr omic behavio rs of the com- plexes are based on the DN value of the solvent.

John McGinle y, Malachy McCann,Kaijie Ni, Theresa Tallon,Kevin Kavanag h, Michae l Devereu x,Xiaomei Ma and Vickie McKee

Polyhedron 55 (2013) 169

Imidazole Schiff base ligands: Synthesis, co- ordination complexes and biological activities

Five ligand systems and fifteen metal (M = Cu, Ag or Zn) complexes were synthe- sised and characterised . X-ray crysta lstructure s were obtained for two of the metal-free ligands and also the Ag(I) com- plex of the Apim-salic ylaldehyde ligand.Although the metal- free ligands and the Cu(II) and Zn(II) complexes are inactive, invitro , against a selection of microbial pathogens, most of the Ag(I) complexes exhibit moderate anti-bac terial activity and good anti-fun gal activity.

ixContents

Page 7: prelims, contents pages

Sergey A. Sapchen ko, Denis G. Samsonenk o and Vladim ir P. Fedin

Polyhedron 55 (2013) 179

Synthesis, structure and luminescent properties of metal–organic frameworks construc ted from unique Zn- and Cd-containing secondary build- ing blocks

Two new isostructu ral 3D coordinatio npolymers, [Zn 6(H2O)3(dmf)6(tdc)6(ur)2]Æ4H2O and [Cd 6(H2O)3(dmf)6(tdc)6(ur)2]Æ2H2O, have been prepared and character- ized. Their structure s have a rare topology and contain unique dinuclear secondary building units. Both compounds demon- strate high thermal stabilit y and show luminescent behavior.

Badri Z. Momeni , S. Mohamm ad Jebraeil,Brian O. Patrick and Alaa S. Abd-El-Aziz

Polyhedron 55 (2013) 184

Synthesis and structural characterizatio n ofdimethyltin(IV) complexes based on functiona- lized pyridyl ligands

The reaction of dimethyltin dichloride with the substituted pyridyl ligand of 1,5-bis (2¢-pyri dyl)pentane-1,3,5-trione (Htrione) re- sults in the form ation of the binu clear diorganot in(IV) complex {[Me 2ClSn(l-trione)-SnMe 2Cl2]ÆHtrione}, having penta- and hexa- coordinated tin(IV) atoms. In addition ,dimethylt in dich loride reac ts with 4¢-functio- nalized 2,2 ¢:6¢,200-terpyrid ine to yield [SnMe 2-Cl(tpyCl)]+[SnMe2Cl3]), [SnM e2Cl(tpyOH)]+Cl)

and [SnMe 2Cl(tpySH)]+2(SnMe2Cl3))Cl). The

crystal str uctures of [Me 2ClSn(l-trione)SnMe 2Cl2]ÆHtrione and [SnMe 2Cl(tpyCl)]+[Sn- Me2Cl3]) are reported.

Sathi Sinha, Manashi Chakrabo rty, Nikhil Ranjan Pramanik, Tapas Kumar Raychaudhu ri, Tapan Kumar Mondal, Deblina Sarkar, Michae lG.B. Drew, Saktiprosad Ghosh and Sudhan shu Sekhar Mandal

Polyhedron 55 (2013) 192

Dimer formation by symbiotic donor–acceptorinteraction between two molecules of a spe- cially designed dioxomolybdenum(VI) complex containing both donor and acceptor centers – Astructural, spectrosco pic and DFT study

This work presents a model study for the formation of a dimeric dioxom olybde- num(VI) complex [MoO 2L]2, generated bysimultan eous satisfactio n of acceptor and donor characte r existing in the correspond- ing monomer ic Mo(VI) complex MoO 2L.Crystal structure and DFT calculatio n ofthree complexes (MoO2L)2, MoO 2LÆCH3OHand MoO 2L(c-pic) have been reported.

W. Cha, H.-R. Cho and E.C. Jung

Polyhedron 55 (2013) 201

Studies of aqueous U(VI)–thiosalicylate com- plex formation via UV–Vis absorption spectro- photometry, TRLFS and potentiometry

Monodent ate, bidentate and ternary ura- nium(VI)–thiosalicyla te(TSal) complexes are identified . The uranium solubility in- creases in the presence of TSal. The charge- transfer band absorptio n by UO2(TSal)0 and UO2(TSal)2

2) is analyzed using UV–Visspectroph otometry. The U(VI)-lumines-cence quenching effects are analyzed using TRLFS. The static quenching processes are also induced by UO2(HTSal)+, UO2(OH)(TSal)) and UO2(OH)2(TSal)2).

UO22+ +

(a) UO2(TSal)0

(b) UO2(TSal)22-

(c) UO2(HTSal)+

(d) UO2(OH)(TSal)-

(e) UO2(OH)2(TSal)2-Charge-transfercomplexes

Non-luminescent complexes

SHOHC

O(H2TSal)

2 3 4 5 6 7 8 90

20

40

60

80

100

UO22+

(e)

(d)(c)

(b)

U(V

I) Sp

ecie

s (%

)

pH

(a)

x Contents

Page 8: prelims, contents pages

He Li, Guan-Cheng Xu, Li Zhang, Ji-Xi Guo and Dian-Zeng Jia

Polyhedron 55 (2013) 209

Structural diversity and properties of four complexes with 4-acyl pyrazolone derivative

Four complexes with different structure swere constructed from correspondi ng me- tal atoms with 4-acyl pyrazolone deriva- tive, and the ligands show three differen tcoordinatio n modes in these complexes .Furtherm ore, the fluoresc ent properties of1–2 and magnetis m of 4 are investigat ed.

El _zbieta Kamysz, Aleksandra Kotynia,Z_aneta Czy _znikowska , Mariusz Jaremko ,Łukasz Jaremko, Michał Nowakowski and Justyna Brasun

Polyhedron 55 (2013) 216

Sialorphin and its analog as ligands for copper (II) ions

In this study the sialorphin (Gln-His-Asn-Pro-Arg) and its analog (Glp-His-Asn-Pro-Arg)were analyzed in terms of metal binding ability. Both peptides were synthesized using the solid-phase method. The application of

number analytical methods: potentiometry,spectroscopy (UV–Vis, CD, NMR) and mass spectrometry allowed for a detailed character- ization of the coordination abilities of pre- sented peptides. The analysis of the obtained results has shown that both peptides are able to form a series of complexes. However due tothe presence of free N-terminal amino group the sialorphin is more effective in metal ion binding. Nevertheless, in basic conditions both peptides involve the amide nitrogen belonging to the side chain of Asn3 moiety and form 4Ncomplex with square planar structure. This unusual ability has been confirmed by the results obtained from the NMR studies.

Reza Takjoo, Alireza Akbari,Mehdi Ahmad i, Hadi Amiri Rudbari and Giuseppe Bruno

Polyhedron 55 (2013) 225

Synthesis, spectroscopy, DFT and cryst al struc- ture investigations of 3-methoxy-2-hydro xy- benzaldehyde S-ethylisothiosemicarbazone and its Ni(II) and Mo(VI) complexes

A new tridentate 3-methoxy-2-hydroxyben- zaldehyde S-ethylisothiosemicarbazone (H2L)ligand and its nickel and molybdenum com- plexes, NiL(MeIm), NiL(Py) and MoO 2L(DMSO)(MeIm = 1-methylimidazole, Py = pyridine and DMSO = dimethyl sulfoxide), have been synthesized. The prevalent spectroscopic methods and X-ray analysis studies show distorted square planar and distorted octahe- dral geometries for the Ni and Mo complexes respectively. The Density Functional Theory approach was successfully used for investiga- tion of the ground state, frequency assignment and natural bond analysis.

Umesh Kumar, Monika Singh and Natesan Thirupat hi

Polyhedron 55 (2013) 233

Mole ratio dependent formation of mononuc- lear versus pentanuclear zinc(II) pival ate com- plexes and the �carboxylate shift � process

Mono and pentanuclear 4-(dimethyl-amino)pyridine coordinat ed zinc(II) piva- late complex es prepared . Nuclearity and carboxylate coordinat ion modes depend onthe ratio of reactants . CP-MAS 13C NMR ishandy to distinguish the crystallographi -cally differen t OC(O) carbon atoms. The �carboxy late shift � in solution is investi- gated by variable temperat ure 1H NMR spectrosco py.

CDCl3 (ε : 5)

MeOH (ε : 33)

tBu

O

ZnO

O

O

O

OZnO

O

O

OtBu

2 3

xiContents

Page 9: prelims, contents pages

Krishna K. Pandey

Polyhedron 55 (2013) 241

Nature of M-(g2-H-SiR2) bonds in chromium,molybdenum and tungsten complexes [(g5-C5

H5)(dmpe)M(g2-H-SiR2)] and [(g5-C5H5)(CO)2

M(g2-H-SiMe2)]: A theoretical study

Theoretic al calculation s have been per- formed for the (M-g2-H-SiR2) complexes of chromium, molybde num and tungsten at the DFT/BP86/ TZ2P/ZORA level of theory.In all studied complexes 1Cr–5Mo, the M–H–Si bonding orbital is polarized toward the H1 atom (the H1 atom contribut esnearly 50% to the M–H–Si bonding orbital).

M

P

P

Me2

Me2Si

Me

Me

H

Mo

P

P

Me2

Me2Si

Ph

H

H

M = Cr, Mo, W

Mo

P

P

Me2

Me2Si

Et

Et

H

Mo

P

P

Me2

Me2Si

Ph

Ph

H

Juan-Juan Han, Yan-Fei Niu, Jie Han and Xiao-Li Zhao

Polyhedron 55 (2013) 249

Supramolecular assembly of a series of new coordination polymers based on 4,4 ¢-(carbony-limino)dibenzoic acid: Syntheses, structures and photoluminescence investigation

Supramole cular assembly of acylamide- containin g dicarbox ylate ligand 4,4 ¢-(carbonylimino)dibenzoic acid (H2L) with divalent zinc, nickel, cadmium and manga- nese ions were investigat ed. The combina- tion of coordinat ion bond, hydrogen bond and p–p stacking leads to a series of co- ordination polymers showing interesting solid-stat e structures .

Bogumiła Kupcewicz,Anna Kaczmar ek-Kedziera , Karin Lux,Peter Mayer and Elzbieta Budzisz

Polyhedron 55 (2013) 259

Novel bright-blue luminescent complex ofZn(II) with 7-amino-methylchromen-4-o ne:Synthesis, photophysical properties and DFT calculations

The new complex of 7-amin o-2-methyl- chromone with Zn(II) was synthesiz ed and characteriz ed by 1HNMR, FAB-MS and FT- IR methods. The structure and spectro- scopic properties of ligand and complex were analyzed by DFT calculations . The ligand has showed selectivi ty as a sensor for Zn(II) in acetonitri le. The complex exhibit intensive bright-blue fluorescencein solid state.

Tushar S. Basu Baul, Sajal Kundu,Herbert Höpfl, Edward R.T. Tiekink and Anthony Linden

Polyhedron 55 (2013) 270

Synthesis, crystal structures and optical proper- ties of mercury(II) halide compounds with (E)-N-(pyridin-2-ylmethylidene)arylamines: Effect of lig and R-group upon structure

HgX2L molecules invariably dimerize when X = Cl but this tendency decreases for X = Br and I. For the HgCl 2L structure s,the strength of the Hg–N(imino) bond can be diminish ed by increasing the electro- negativit y of the substituents in L.

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